Computational screening study of double transition metal carbonitrides M′2M″CNO2-MXene as catalysts for hydrogen evolution reaction

Zeng, Zhe; Chen, Xingzhu; Weng, Kaiyi; Wu, Yang; Zhang, Peng; Jiang, Jizhou; Li, Neng

doi:10.1038/s41524-021-00550-4

Cited by 75 publications

(54 citation statements)

References 42 publications

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“…In addition to experimental means, Li's group studied the HER activities of 64 O-terminated ordered double transition metal carbonitrides (M′ 2 M″CNO 2 , M′ = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta; M″ = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta) utilizing DFT calculation (Fig. 4c) [94]. The results showed that Ti 2 NbCNO 2 had a small hydrogen adsorption Gibbs free energy (ΔG H* , 0.02 eV), abundant C-side catalytic centers, and great stability; therefore, it is expected to be a Pt-like HER catalyst (Fig.…”

Section: Carbonitridementioning

confidence: 99%

Shining Light on Anion-Mixed Nanocatalysts for Efficient Water Electrolysis: Fundamentals, Progress, and Perspectives

et al. 2022

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Highlights This review introduces recent advances of various anion-mixed transition metal compounds (e.g., nitrides, halides, phosphides, chalcogenides, (oxy)hydroxides, and borides) for efficient water electrolysis applications in detail. The challenges and future perspectives are proposed and analyzed for the anion-mixed water dissociation catalysts, including polyanion-mixed and metal-free catalyst, progressive synthesis strategies, advanced in situ characterizations, and atomic level structure–activity relationship. Abstract Hydrogen with high energy density and zero carbon emission is widely acknowledged as the most promising candidate toward world's carbon neutrality and future sustainable eco-society. Water-splitting is a constructive technology for unpolluted and high-purity H2 production, and a series of non-precious electrocatalysts have been developed over the past decade. To further improve the catalytic activities, metal doping is always adopted to modulate the 3d-electronic configuration and electron-donating/accepting (e-DA) properties, while for anion doping, the electronegativity variations among different non-metal elements would also bring some potential in the modulations of e-DA and metal valence for tuning the performances. In this review, we summarize the recent developments of the many different anion-mixed transition metal compounds (e.g., nitrides, halides, phosphides, chalcogenides, oxyhydroxides, and borides/borates) for efficient water electrolysis applications. First, we have introduced the general information of water-splitting and the description of anion-mixed electrocatalysts and highlighted their complementary functions of mixed anions. Furthermore, some latest advances of anion-mixed compounds are also categorized for hydrogen and oxygen evolution electrocatalysis. The rationales behind their enhanced electrochemical performances are discussed. Last but not least, the challenges and future perspectives are briefly proposed for the anion-mixed water dissociation catalysts.

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Section: Carbonitridementioning

confidence: 99%

Shining Light on Anion-Mixed Nanocatalysts for Efficient Water Electrolysis: Fundamentals, Progress, and Perspectives

et al. 2022

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“…[58] The design of MXenes with interlayer spacing, hole, doping, functional groups, different chemical components, as well as the loaded, sandwiched, encapsulated, 3D printing construction strategies, have been attractive and proposed. [59][60][61][62][63] Moreover, the design of MXenes profoundly influences on the hydrogenevolution reactions, [38,62] indicating the great potential of MXenes for structure design, as well as the MXenes-based composites. [64,65] All these character structures and prop-erties of MXenes supply diversified choices for designing MXenes-based composites as the candidate for packaging materials to accomplish the preservation, containment, antimicrobial and communication functions (Figure 1).…”

Section: The Typical Structure and Propertiesmentioning

confidence: 99%

“…1 nm thick. [ 54–91 ] Controlling spacing between the 2D sheets has been significantly developed for the gases separation, water purification, and dialysis. [ 92 ] The application of nanoclays in packaging membranes derives from the advantages of low cost, facile preparation, high stability, aboudent resources, and effectiveness.…”

Section: The Structure Of Mxenesmentioning

confidence: 99%

MXenes: An emergent materials for packaging platforms and looking beyond

Zhou

Hao

et al. 2022

Nano Select

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MXenes have been employed as two-dimensional (2D) nanostructured fillers in polymers matrix to design composites, which have tailored multi-functional properties with great potential applications in catalysis, sensor, energy storage, membrane and biomedicine areas. Analogous to 2D materials such as graphene and hexagonal boron nitrides, MXenes serve as robust support to expand a significant pathway to prepare composites. This paper outlines an overview of the recent development of MXenes and MXenes-based composites decorated by functional properties that potentially hold a promise on the packaging applications. A particular emphasis is to illustrate the essential properties of MXenes/polymer membrane intended food packaging such as barrier and antibacterial properties, biocompatibility and thermal stability. Furthermore, the progress and emergent values are presented in the perspective of instrumentation packaging that broadens prospects for antistatic, electromagnetic shielding and invisibility purposes. As a whole, this review promotes an emerging field to formulate the good ingredient of food packaging and safety to produce green and versatile membranes with high barrier performance. Finally, challenges and insightful perspectives for the application of MXenes in the packaging area are elucidated.

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“…The ordered double transition metals carbides M’M”C have been recently found as a new member of the MXenes family. The combination of both metals and mixed carbon-nitrides might potentially expand the range of accessible properties and applications greatly [ 21 ]. Recently, a new layered MXene VCrC with excellent metallic properties with near-zero energy band gap has aroused the interests of researchers.…”

Section: Introductionmentioning

confidence: 99%

Investigation of Nonlinear Optical Modulation Characteristics of MXene VCrC for Pulsed Lasers

Meng

Liu

et al. 2022

Molecules

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We report the surface morphology and the nonlinear absorption characteristics of MXene VCrC nanosheets prepared by the liquid-phase exfoliation method. The self-made MXene VCrC was applied as a saturable absorber in the Tm:YAP laser experiments, performing excellent Q-switching optical modulation characteristics in infrared range. With this absorber, a stable passively Q-switched 2 μm laser was achieved. Under an incident pump power of 3.52 W, a maximum output power of 280 mW was obtained with a T = 3% output coupler at a repetition frequency of 49 kHz. The corresponding pulse energy and peak power were 5.7 μJ and 6.6 W, respectively. The shortest pulse duration was 658 ns at the repetition rate of 63 kHz with a T = 1% output coupler.

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Computational screening study of double transition metal carbonitrides M′2M″CNO2-MXene as catalysts for hydrogen evolution reaction

Cited by 75 publications

References 42 publications

Shining Light on Anion-Mixed Nanocatalysts for Efficient Water Electrolysis: Fundamentals, Progress, and Perspectives

Shining Light on Anion-Mixed Nanocatalysts for Efficient Water Electrolysis: Fundamentals, Progress, and Perspectives

MXenes: An emergent materials for packaging platforms and looking beyond

Investigation of Nonlinear Optical Modulation Characteristics of MXene VCrC for Pulsed Lasers

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